tert-butyl 2-[1-oxidanylidene-6-(trifluoromethylsulfonyloxy)-3,4-dihydroisoquinolin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[1-oxidanylidene-6-(trifluoromethylsulfonyloxy)-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[1-oxo-6-(trifluoromethylsulfonyloxy)-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[1-oxo-6-(trifluoromethylsulfonyloxy)-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-oxo-6-(trifluoromethylsulfonyloxy)-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-(1-keto-6-triflyloxy-3,4-dihydroisoquinolin-2-yl)acetic acid tert-butyl ester Formula: C16H18F3NO6S MolecularWeight: 409.37743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H18F3NO6S/c1-15(2,3)25-13(21)9-20-7-6-10-8-11(4-5-12(10)14(20)22)26-27(23,24)16(17,18)19/h4-5,8H,6-7,9H2,1-3H3